N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-chloranyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-chloranyl-5-methylsulfonyl-benzamide Openeye Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-chloro-5-methylsulfonyl-benzamide CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-2-chloro-5-methylsulfonylbenzamide IUPAC Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-chloro-5-methylsulfonylbenzamide Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-chloro-5-mesyl-benzamide Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFN3O3S/c1-21(2,3)18-12-19(26(25-18)14-7-5-13(23)6-8-14)24-20(27)16-11-15(30(4,28)29)9-10-17(16)22/h5-12H,1-4H3,(H,24,27)